1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine

C11H10BrClN2O — CID 82781042

IUPAC1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Br)cc2Cl)on1
InChIInChI=1S/C11H10BrClN2O/c1-14-6-8-5-11(16-15-8)9-3-2-7(12)4-10(9)13/h2-5,14H,6H2,1H3
InChIKeyXARKOAYVLVZTSP-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.48
Rot. Bonds3

About 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 82781042) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID82781042
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Br)cc2Cl)on1
InChIInChI=1S/C11H10BrClN2O/c1-14-6-8-5-11(16-15-8)9-3-2-7(12)4-10(9)13/h2-5,14H,6H2,1H3
InChIKeyXARKOAYVLVZTSP-UHFFFAOYSA-N
XLogP3.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine (CID 82781042) is 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(Br)cc2Cl)on1.
What is the InChIKey of 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is XARKOAYVLVZTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-14-6-8-5-11(16-15-8)9-3-2-7(12)4-10(9)13/h2-5,14H,6H2,1H3.
What are the key properties of 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 301.57 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 82781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).